Information card for entry 4002681

Structure parameters

• Formula: C24 H56 Bi4 I12 N8 O8
• Calculated formula: C24 H56 Bi4 I12 N8 O8
• SMILES: [Bi]12([I][Bi]([I]2)(I)(I)I)(I)([I][Bi]([I]1)(I)(I)I)I.[Bi]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing
• Authors of publication: Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 6567
• a: 15.1588 ± 0.001 Å
• b: 30.997 ± 0.002 Å
• c: 15.7999 ± 0.001 Å
• α: 90°
• β: 117.826 ± 0.001°
• γ: 90°
• Cell volume: 6565.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No